Sugi Predict

Sugi Predict / Compounds / SCHEMBL4554524

SCHEMBL4554524

SCHEMBL4554524

CN1CCN(c2ccc(C(=O)Nc3cc(CCc4ccccc4)n[nH]3)cc2)CC1.O=C(Cl)C(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.54
▸ FLT3 P36888 13/20 0.52
▸ KIT P10721 6/20 0.52
▸ KDR P35968 4/20 0.52
▸ FLT1 P17948 3/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ACHE P22303 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL64812 0.97 AURKA (0.56) AURKAFLT3KITKDRFLT1
SCHEMBL64236 0.87 FLT3 (0.56) AURKAFLT3KITKDRFLT1
SCHEMBL63512 0.86 FLT3 (0.49) AURKAFLT3KITKDRFLT1
SCHEMBL62764 0.85 MAPT (0.51) FLT3KITKDRFLT1NPC1
SCHEMBL63795 0.84 FLT3 (0.47) AURKAFLT3KITKDRFLT1
SCHEMBL64062 0.84 FGFR1 (0.55) FLT3KITKDRFLT1NPC1
SCHEMBL63357 0.83 KIT (0.55) AURKAFLT3KITKDRFLT1
SCHEMBL64243 0.82 AURKA (0.52) AURKAFLT3KITKDRFLT1
SCHEMBL62536 0.82 FLT3 (0.62) AURKAFLT3KITKDRNPC1
SCHEMBL63445 0.81 F10 (0.55) KDRNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 — — EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed